1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

C24H24F3N3O3S — CID 45211675

IUPAC1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C(CC1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCCCC1c1nccs1
InChIInChI=1S/C24H24F3N3O3S/c25-24(26,27)16-5-3-4-15(12-16)23(14-20(32)30(22(23)33)17-7-8-17)13-19(31)29-10-2-1-6-18(29)21-28-9-11-34-21/h3-5,9,11-12,17-18H,1-2,6-8,10,13-14H2
InChIKeyBDUOJWAWZLZVMD-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.46
Rot. Bonds5

About 1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 45211675) has the molecular formula C24H24F3N3O3S and a molecular weight of 491.54 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID45211675
Molecular FormulaC24H24F3N3O3S
Molecular Weight491.54 g/mol
Exact Mass491.15
IUPAC Name1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESO=C(CC1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCCCC1c1nccs1
InChIInChI=1S/C24H24F3N3O3S/c25-24(26,27)16-5-3-4-15(12-16)23(14-20(32)30(22(23)33)17-7-8-17)13-19(31)29-10-2-1-6-18(29)21-28-9-11-34-21/h3-5,9,11-12,17-18H,1-2,6-8,10,13-14H2
InChIKeyBDUOJWAWZLZVMD-UHFFFAOYSA-N
XLogP4.46
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-[(5S)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234273
1-Cyclopentyl-3-(2-methylphenyl)-3-{2-oxo-2-[2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]ethyl}-2,5-pyrrolidinedione
CID 45166033
1-Ethyl-3-(2-methylphenyl)-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 45165812
3-(2-Fluorophenyl)-1-(2-methoxyethyl)-3-{2-oxo-2-[2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]ethyl}-2,5-pyrrolidinedione
CID 45176629
2-{1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]-3-pyrrolidinyl}-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 45192285
2-[1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 45196790
2-{1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]-3-pyrrolidinyl}-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 45209635
1-(2-fluorophenyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboxamide
CID 50948729
1-[2-[(4-Fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 53626201
1-[(2R)-2-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 95353258
3-(2-Fluorophenyl)-1-methyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 126462470
2-[3-(3-fluorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 126463602

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 45211675) is 1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is O=C(CC1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O)N1CCCCC1c1nccs1.
What is the InChIKey of 1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is BDUOJWAWZLZVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O3S/c25-24(26,27)16-5-3-4-15(12-16)23(14-20(32)30(22(23)33)17-7-8-17)13-19(31)29-10-2-1-6-18(29)21-28-9-11-34-21/h3-5,9,11-12,17-18H,1-2,6-8,10,13-14H2.
What are the key properties of 1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 491.54 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45211675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).